Compound Detail
CHEMBL90140
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL90140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMKGTFTWQFLGDR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.85
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 5.35 | 5.35 | 4510.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.24 | 5.24 | 5780.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 5.17 | 5.17 | 6780.0 | 1 |
| Detroit 551 CHEMBL614284 | IC50 | 5.12 | 5.12 | 7570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW480 | IC50 | = | 4510.0 | nM | 5.35 | Concentration required for 50% inhibition of growth in human colon adenocarcinom... | 12217364 |
| MCF7 | IC50 | = | 5780.0 | nM | 5.24 | Concentration required for 50% inhibition of growth in mammary gland breast aden... | 12217364 |
| MKN-45 | IC50 | = | 6780.0 | nM | 5.17 | Concentration required for 50% inhibition of growth in human stomach adenocarcin... | 12217364 |
| Detroit 551 | IC50 | = | 7570.0 | nM | 5.12 | Concentration required for 50% inhibition of growth in normal human embryonic sk... | 12217364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MES-SA | 2 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | A549 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | HepG2 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MCF7 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | MKN-45 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | SW480 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | NPC-TW-039 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | Detroit 551 | 1 |
| 12217364 | 10.1016/s0960-894x(02)00532-2 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine